CID 168509885

H2-u-pfos

Structural Information

Molecular Formula
C8H3F13O3S
SMILES
C(C(C(F)S(=O)(=O)O)(F)F)(C(/C(=C(/C(C(F)(F)F)(F)F)\F)/F)(F)F)F
InChI
InChI=1S/C8H3F13O3S/c9-1(2(10)7(17,18)8(19,20)21)5(13,14)3(11)6(15,16)4(12)25(22,23)24/h3-4H,(H,22,23,24)/b2-1+
InChIKey
IKMVRXDXSWPVNW-OWOJBTEDSA-N
Compound name
(E)-1,2,2,3,4,4,5,6,7,7,8,8,8-tridecafluorooct-5-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.95953 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.96681 166.6
[M+Na]+ 448.94875 173.8
[M-H]- 424.95225 150.5
[M+NH4]+ 443.99335 172.8
[M+K]+ 464.92269 170.4
[M+H-H2O]+ 408.95679 152.8
[M+HCOO]- 470.95773 174.5
[M+CH3COO]- 484.97338 218.8
[M+Na-2H]- 446.93420 163.9
[M]+ 425.95898 147.9
[M]- 425.96008 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.